CID 72207457

1363381-38-7

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)NC1(COC1)C(=O)OC
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(13)11-10(5-15-6-10)7(12)14-4/h5-6H2,1-4H3,(H,11,13)
InChIKey
GWYLPDSCEUAFEZ-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

231.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 151.4
[M+Na]+ 254.09989 154.9
[M-H]- 230.10339 155.2
[M+NH4]+ 249.14449 162.9
[M+K]+ 270.07383 160.7
[M+H-H2O]+ 214.10793 141.6
[M+HCOO]- 276.10887 170.0
[M+CH3COO]- 290.12452 192.5
[M+Na-2H]- 252.08534 156.9
[M]+ 231.11012 163.4
[M]- 231.11122 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe